Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4C | Q9H3R0 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.32 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27785664 | 1.00 | KDM4C (0.37) | KDM4CIDO1DRD2DRD3TAS1R3 | |
| SCHEMBL27728241 | 0.80 | KDM4C (0.39) | KDM4CIDO1DRD2DRD3TAS1R3 | |
| SCHEMBL29028639 | 0.78 | CA1 (0.48) | TAS1R3TAS1R1TAS1R2ADRA2A | |
| SCHEMBL7538343 | 0.74 | IDO1 (0.45) | IDO1ADRA2A | |
| SCHEMBL2422836 | 0.74 | UGT2B17 (0.47) | KDM4CDRD2DRD3TAS1R3TAS1R1 | |
| SCHEMBL27734788 | 0.71 | UGT2B17 (0.57) | KDM4C | |
| SCHEMBL22143863 | 0.70 | DRD2 (0.40) | KDM4CDRD2DRD3TAS1R3TAS1R1 | |
| SCHEMBL1151078 | 0.70 | DRD2 (0.46) | KDM4CIDO1DRD2DRD3KDM4E | |
| SCHEMBL17891729 | 0.70 | KDM4C (0.49) | KDM4CNR3C1 | |
| SCHEMBL28730765 | 0.70 | DRD2 (0.42) | DRD2KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106349241-B | Triazole derivative with HSP90 inhibitory activity and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2020-04-21 | — | — | CN | disclosed |